N-(3-ethylphenyl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-ethylphenyl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
N-(3-ethylphenyl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G681-0030 |
| Compound Name: | N-(3-ethylphenyl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C25 H23 N3 O S |
| Smiles: | CCc1cccc(c1)NC(CSC1CC(c2ccccc2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.36 |
| logD: | 5.3593 |
| logSw: | -5.3269 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | PMHADGJHZNQWOD-UHFFFAOYSA-N |